Chemical ID: 5285525

Cc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)C
Chemical ID:
5285525
Name [?]:
[2-(o-tolylmethylene)-3-oxo-benzofuran-6-yl] acetate
SMILES [?]:
Cc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)C
InChi [?]:
InChI=1/C18H14O4/c1-11-5-3-4-6-13(11)9-17-18(20)15-8-7-14(21-12(2)19)10-16(15)22-17/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,4,5,3,6,14,13,8,16,2,20,7,15,12,17,9,10,21,11,19,18/rA:22nCCCCCCCCCCOCCCCCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.04823
Area:484.36
Solvation:-3.06076
Coulombic:-35.4406
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:294.301
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.85
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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